N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide

C18H19ClN4O2 — CID 109168916

IUPACN-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=CN1CCN(c2cc(C(=O)NCc3ccc(Cl)cc3)ccn2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-16-3-1-14(2-4-16)12-21-18(25)15-5-6-20-17(11-15)23-9-7-22(13-24)8-10-23/h1-6,11,13H,7-10,12H2,(H,21,25)
InChIKeyHRCUNOSLRSXDPO-UHFFFAOYSA-N
MW358.83 g/mol
LogP1.94
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109168916) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109168916
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=CN1CCN(c2cc(C(=O)NCc3ccc(Cl)cc3)ccn2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-16-3-1-14(2-4-16)12-21-18(25)15-5-6-20-17(11-15)23-9-7-22(13-24)8-10-23/h1-6,11,13H,7-10,12H2,(H,21,25)
InChIKeyHRCUNOSLRSXDPO-UHFFFAOYSA-N
XLogP1.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278887
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide
CID 109170889
4-[2-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888512
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
N-(1,1-dioxothiolan-3-yl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168928
2-(4-formylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109254470
N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168959
N-[(4-fluorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254461
N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168993

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide (CID 109168916) is N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide is O=CN1CCN(c2cc(C(=O)NCc3ccc(Cl)cc3)ccn2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is HRCUNOSLRSXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-16-3-1-14(2-4-16)12-21-18(25)15-5-6-20-17(11-15)23-9-7-22(13-24)8-10-23/h1-6,11,13H,7-10,12H2,(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109168916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).